USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 180:sc= -0.469 USER MOD Single : A 1 G O5' : rot 180:sc= -0.01 USER MOD Single : A 2 G O2' : rot 180:sc= -0.487 USER MOD Single : A 3 A O2' : rot -13:sc= -0.888 USER MOD Single : A 4 G O2' : rot -17:sc= -0.547 USER MOD Single : A 5 U O2' : rot -18:sc= 0.185 USER MOD Single : A 6 U O2' : rot -16:sc= -0.394 USER MOD Single : A 7 C O2' : rot -11:sc= -0.447 USER MOD Single : A 8 C O2' : rot -25:sc= 0.184 USER MOD Single : A 8 C O3' : rot 180:sc= 0.211 USER MOD Single : B 9 G O2' : rot 180:sc= -0.47 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0112 USER MOD Single : B 10 G O2' : rot 180:sc= -0.486 USER MOD Single : B 11 A O2' : rot -12:sc= -0.915 USER MOD Single : B 12 G O2' : rot -17:sc= -0.6 USER MOD Single : B 13 U O2' : rot -6:sc= 0.132 USER MOD Single : B 14 U O2' : rot -12:sc= -0.459 USER MOD Single : B 15 C O2' : rot -9:sc= -0.466 USER MOD Single : B 16 C O2' : rot -24:sc= 0.2 USER MOD Single : B 16 C O3' : rot 180:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.634 -8.027 4.517 1.00 0.00 O ATOM 2 C5' G A 1 5.981 -8.415 4.351 1.00 0.00 C ATOM 3 C4' G A 1 6.830 -7.219 3.908 1.00 0.00 C ATOM 4 O4' G A 1 6.407 -6.717 2.640 1.00 0.00 O ATOM 5 C3' G A 1 6.730 -6.038 4.854 1.00 0.00 C ATOM 6 O3' G A 1 7.505 -6.204 6.024 1.00 0.00 O ATOM 7 C2' G A 1 7.270 -4.947 3.967 1.00 0.00 C ATOM 8 O2' G A 1 8.674 -5.063 3.852 1.00 0.00 O ATOM 9 C1' G A 1 6.640 -5.297 2.628 1.00 0.00 C ATOM 10 N9 G A 1 5.360 -4.576 2.474 1.00 0.00 N ATOM 11 C8 G A 1 4.080 -5.032 2.661 1.00 0.00 C ATOM 12 N7 G A 1 3.160 -4.137 2.432 1.00 0.00 N ATOM 13 C5 G A 1 3.880 -3.003 2.067 1.00 0.00 C ATOM 14 C6 G A 1 3.420 -1.705 1.699 1.00 0.00 C ATOM 15 O6 G A 1 2.262 -1.299 1.625 1.00 0.00 O ATOM 16 N1 G A 1 4.477 -0.852 1.401 1.00 0.00 N ATOM 17 C2 G A 1 5.811 -1.198 1.452 1.00 0.00 C ATOM 18 N2 G A 1 6.693 -0.243 1.142 1.00 0.00 N ATOM 19 N3 G A 1 6.246 -2.415 1.795 1.00 0.00 N ATOM 20 C4 G A 1 5.228 -3.264 2.089 1.00 0.00 C ATOM 0 H5' G A 1 6.048 -9.211 3.610 1.00 0.00 H new ATOM 0 H5'' G A 1 6.368 -8.817 5.287 1.00 0.00 H new ATOM 0 H4' G A 1 7.848 -7.608 3.880 1.00 0.00 H new ATOM 0 H3' G A 1 5.730 -5.861 5.250 1.00 0.00 H new ATOM 0 H2' G A 1 7.056 -3.941 4.329 1.00 0.00 H new ATOM 0 HO2' G A 1 9.015 -4.350 3.273 1.00 0.00 H new ATOM 0 HO5' G A 1 4.103 -8.801 4.798 1.00 0.00 H new ATOM 0 H1' G A 1 7.289 -5.013 1.799 1.00 0.00 H new ATOM 0 H8 G A 1 3.854 -6.042 2.970 1.00 0.00 H new ATOM 0 H1 G A 1 4.248 0.102 1.124 1.00 0.00 H new ATOM 0 H21 G A 1 7.692 -0.445 1.164 1.00 0.00 H new ATOM 0 H22 G A 1 6.367 0.688 0.884 1.00 0.00 H new ATOM 33 P G A 2 7.344 -5.184 7.267 1.00 0.00 P ATOM 34 OP1 G A 2 8.257 -5.626 8.344 1.00 0.00 O ATOM 35 OP2 G A 2 5.898 -5.038 7.546 1.00 0.00 O ATOM 36 O5' G A 2 7.887 -3.775 6.696 1.00 0.00 O ATOM 37 C5' G A 2 9.271 -3.544 6.528 1.00 0.00 C ATOM 38 C4' G A 2 9.512 -2.106 6.053 1.00 0.00 C ATOM 39 O4' G A 2 8.912 -1.834 4.786 1.00 0.00 O ATOM 40 C3' G A 2 8.934 -1.077 6.999 1.00 0.00 C ATOM 41 O3' G A 2 9.717 -0.892 8.162 1.00 0.00 O ATOM 42 C2' G A 2 8.963 0.130 6.104 1.00 0.00 C ATOM 43 O2' G A 2 10.294 0.573 5.933 1.00 0.00 O ATOM 44 C1' G A 2 8.475 -0.461 4.797 1.00 0.00 C ATOM 45 N9 G A 2 7.006 -0.427 4.717 1.00 0.00 N ATOM 46 C8 G A 2 6.125 -1.450 4.923 1.00 0.00 C ATOM 47 N7 G A 2 4.878 -1.130 4.715 1.00 0.00 N ATOM 48 C5 G A 2 4.937 0.209 4.335 1.00 0.00 C ATOM 49 C6 G A 2 3.891 1.104 3.960 1.00 0.00 C ATOM 50 O6 G A 2 2.684 0.882 3.897 1.00 0.00 O ATOM 51 N1 G A 2 4.384 2.363 3.636 1.00 0.00 N ATOM 52 C2 G A 2 5.716 2.720 3.658 1.00 0.00 C ATOM 53 N2 G A 2 6.006 3.980 3.315 1.00 0.00 N ATOM 54 N3 G A 2 6.702 1.882 4.002 1.00 0.00 N ATOM 55 C4 G A 2 6.240 0.647 4.329 1.00 0.00 C ATOM 0 H5' G A 2 9.680 -4.248 5.803 1.00 0.00 H new ATOM 0 H5'' G A 2 9.793 -3.717 7.469 1.00 0.00 H new ATOM 0 H4' G A 2 10.598 -2.030 5.999 1.00 0.00 H new ATOM 0 H3' G A 2 7.957 -1.336 7.407 1.00 0.00 H new ATOM 0 H2' G A 2 8.386 0.976 6.477 1.00 0.00 H new ATOM 0 HO2' G A 2 10.305 1.359 5.348 1.00 0.00 H new ATOM 0 H1' G A 2 8.868 0.107 3.954 1.00 0.00 H new ATOM 0 H8 G A 2 6.434 -2.438 5.231 1.00 0.00 H new ATOM 0 H1 G A 2 3.709 3.077 3.361 1.00 0.00 H new ATOM 0 H21 G A 2 6.975 4.298 3.314 1.00 0.00 H new ATOM 0 H22 G A 2 5.258 4.623 3.055 1.00 0.00 H new ATOM 67 P A A 3 9.127 -0.092 9.434 1.00 0.00 P ATOM 68 OP1 A A 3 10.204 0.030 10.442 1.00 0.00 O ATOM 69 OP2 A A 3 7.841 -0.719 9.808 1.00 0.00 O ATOM 70 O5' A A 3 8.811 1.381 8.856 1.00 0.00 O ATOM 71 C5' A A 3 9.851 2.300 8.593 1.00 0.00 C ATOM 72 C4' A A 3 9.256 3.618 8.088 1.00 0.00 C ATOM 73 O4' A A 3 8.533 3.458 6.874 1.00 0.00 O ATOM 74 C3' A A 3 8.286 4.227 9.077 1.00 0.00 C ATOM 75 O3' A A 3 8.956 4.887 10.133 1.00 0.00 O ATOM 76 C2' A A 3 7.559 5.199 8.179 1.00 0.00 C ATOM 77 O2' A A 3 8.386 6.313 7.922 1.00 0.00 O ATOM 78 C1' A A 3 7.447 4.397 6.878 1.00 0.00 C ATOM 79 N9 A A 3 6.192 3.641 6.852 1.00 0.00 N ATOM 80 C8 A A 3 6.008 2.311 7.087 1.00 0.00 C ATOM 81 N7 A A 3 4.771 1.915 6.964 1.00 0.00 N ATOM 82 C5 A A 3 4.091 3.076 6.607 1.00 0.00 C ATOM 83 C6 A A 3 2.743 3.337 6.307 1.00 0.00 C ATOM 84 N6 A A 3 1.790 2.400 6.342 1.00 0.00 N ATOM 85 N1 A A 3 2.413 4.596 5.962 1.00 0.00 N ATOM 86 C2 A A 3 3.362 5.527 5.923 1.00 0.00 C ATOM 87 N3 A A 3 4.657 5.409 6.186 1.00 0.00 N ATOM 88 C4 A A 3 4.955 4.133 6.527 1.00 0.00 C ATOM 0 H5' A A 3 10.534 1.889 7.849 1.00 0.00 H new ATOM 0 H5'' A A 3 10.433 2.475 9.498 1.00 0.00 H new ATOM 0 H4' A A 3 10.120 4.266 7.941 1.00 0.00 H new ATOM 0 H3' A A 3 7.643 3.509 9.586 1.00 0.00 H new ATOM 0 H2' A A 3 6.616 5.557 8.593 1.00 0.00 H new ATOM 0 HO2' A A 3 9.147 6.305 8.540 1.00 0.00 H new ATOM 0 H1' A A 3 7.475 5.067 6.019 1.00 0.00 H new ATOM 0 H8 A A 3 6.815 1.644 7.352 1.00 0.00 H new ATOM 0 H61 A A 3 0.826 2.644 6.115 1.00 0.00 H new ATOM 0 H62 A A 3 2.027 1.441 6.596 1.00 0.00 H new ATOM 0 H2 A A 3 3.033 6.515 5.638 1.00 0.00 H new ATOM 100 P G A 4 8.176 5.287 11.484 1.00 0.00 P ATOM 101 OP1 G A 4 9.091 6.093 12.323 1.00 0.00 O ATOM 102 OP2 G A 4 7.567 4.057 12.037 1.00 0.00 O ATOM 103 O5' G A 4 6.988 6.243 10.974 1.00 0.00 O ATOM 104 C5' G A 4 7.238 7.569 10.557 1.00 0.00 C ATOM 105 C4' G A 4 5.926 8.223 10.188 1.00 0.00 C ATOM 106 O4' G A 4 5.334 7.578 9.075 1.00 0.00 O ATOM 107 C3' G A 4 4.917 8.105 11.282 1.00 0.00 C ATOM 108 O3' G A 4 5.182 8.993 12.354 1.00 0.00 O ATOM 109 C2' G A 4 3.702 8.509 10.498 1.00 0.00 C ATOM 110 O2' G A 4 3.737 9.899 10.245 1.00 0.00 O ATOM 111 C1' G A 4 3.930 7.779 9.185 1.00 0.00 C ATOM 112 N9 G A 4 3.220 6.486 9.167 1.00 0.00 N ATOM 113 C8 G A 4 3.720 5.221 9.337 1.00 0.00 C ATOM 114 N7 G A 4 2.825 4.278 9.216 1.00 0.00 N ATOM 115 C5 G A 4 1.644 4.968 8.949 1.00 0.00 C ATOM 116 C6 G A 4 0.319 4.480 8.719 1.00 0.00 C ATOM 117 O6 G A 4 -0.083 3.317 8.693 1.00 0.00 O ATOM 118 N1 G A 4 -0.573 5.520 8.511 1.00 0.00 N ATOM 119 C2 G A 4 -0.250 6.857 8.502 1.00 0.00 C ATOM 120 N2 G A 4 -1.253 7.713 8.276 1.00 0.00 N ATOM 121 N3 G A 4 0.986 7.319 8.703 1.00 0.00 N ATOM 122 C4 G A 4 1.880 6.322 8.923 1.00 0.00 C ATOM 0 H5' G A 4 7.915 7.574 9.703 1.00 0.00 H new ATOM 0 H5'' G A 4 7.727 8.129 11.354 1.00 0.00 H new ATOM 0 H4' G A 4 6.170 9.265 9.982 1.00 0.00 H new ATOM 0 H3' G A 4 4.864 7.136 11.778 1.00 0.00 H new ATOM 0 H2' G A 4 2.759 8.285 10.997 1.00 0.00 H new ATOM 0 HO2' G A 4 4.382 10.325 10.848 1.00 0.00 H new ATOM 0 H1' G A 4 3.545 8.360 8.347 1.00 0.00 H new ATOM 0 H8 G A 4 4.760 5.022 9.552 1.00 0.00 H new ATOM 0 H1 G A 4 -1.550 5.274 8.351 1.00 0.00 H new ATOM 0 H21 G A 4 -1.073 8.717 8.258 1.00 0.00 H new ATOM 0 H22 G A 4 -2.198 7.362 8.122 1.00 0.00 H new ATOM 134 P U A 5 4.462 8.809 13.784 1.00 0.00 P ATOM 135 OP1 U A 5 4.762 10.000 14.609 1.00 0.00 O ATOM 136 OP2 U A 5 4.798 7.461 14.291 1.00 0.00 O ATOM 137 O5' U A 5 2.895 8.826 13.427 1.00 0.00 O ATOM 138 C5' U A 5 2.228 10.021 13.079 1.00 0.00 C ATOM 139 C4' U A 5 0.765 9.691 12.768 1.00 0.00 C ATOM 140 O4' U A 5 0.651 8.778 11.679 1.00 0.00 O ATOM 141 C3' U A 5 0.099 9.017 13.953 1.00 0.00 C ATOM 142 O3' U A 5 -0.377 9.953 14.914 1.00 0.00 O ATOM 143 C2' U A 5 -1.016 8.273 13.294 1.00 0.00 C ATOM 144 O2' U A 5 -2.109 9.138 13.075 1.00 0.00 O ATOM 145 C1' U A 5 -0.430 7.877 11.955 1.00 0.00 C ATOM 146 N1 U A 5 0.059 6.479 11.964 1.00 0.00 N ATOM 147 C2 U A 5 -0.862 5.479 11.691 1.00 0.00 C ATOM 148 O2 U A 5 -2.046 5.726 11.480 1.00 0.00 O ATOM 149 N3 U A 5 -0.372 4.180 11.666 1.00 0.00 N ATOM 150 C4 U A 5 0.955 3.814 11.850 1.00 0.00 C ATOM 151 O4 U A 5 1.289 2.632 11.816 1.00 0.00 O ATOM 152 C5 U A 5 1.850 4.935 12.066 1.00 0.00 C ATOM 153 C6 U A 5 1.385 6.194 12.118 1.00 0.00 C ATOM 0 H5' U A 5 2.704 10.482 12.214 1.00 0.00 H new ATOM 0 H5'' U A 5 2.288 10.740 13.896 1.00 0.00 H new ATOM 0 H4' U A 5 0.288 10.641 12.527 1.00 0.00 H new ATOM 0 H3' U A 5 0.774 8.383 14.528 1.00 0.00 H new ATOM 0 H2' U A 5 -1.372 7.431 13.887 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.016 9.932 13.641 1.00 0.00 H new ATOM 0 H1' U A 5 -1.199 7.937 11.185 1.00 0.00 H new ATOM 0 H3 U A 5 -1.044 3.431 11.498 1.00 0.00 H new ATOM 0 H5 U A 5 2.908 4.754 12.187 1.00 0.00 H new ATOM 0 H6 U A 5 2.080 7.004 12.286 1.00 0.00 H new ATOM 164 P U A 6 -0.925 9.465 16.362 1.00 0.00 P ATOM 165 OP1 U A 6 -1.067 10.660 17.221 1.00 0.00 O ATOM 166 OP2 U A 6 -0.074 8.340 16.808 1.00 0.00 O ATOM 167 O5' U A 6 -2.412 8.880 16.075 1.00 0.00 O ATOM 168 C5' U A 6 -3.549 9.733 16.033 1.00 0.00 C ATOM 169 C4' U A 6 -4.830 8.886 15.914 1.00 0.00 C ATOM 170 O4' U A 6 -4.863 8.150 14.696 1.00 0.00 O ATOM 171 C3' U A 6 -4.940 7.850 17.019 1.00 0.00 C ATOM 172 O3' U A 6 -5.413 8.388 18.239 1.00 0.00 O ATOM 173 C2' U A 6 -5.951 6.925 16.405 1.00 0.00 C ATOM 174 O2' U A 6 -7.236 7.505 16.475 1.00 0.00 O ATOM 175 C1' U A 6 -5.516 6.898 14.957 1.00 0.00 C ATOM 176 N1 U A 6 -4.576 5.785 14.714 1.00 0.00 N ATOM 177 C2 U A 6 -5.096 4.517 14.505 1.00 0.00 C ATOM 178 O2 U A 6 -6.300 4.279 14.581 1.00 0.00 O ATOM 179 N3 U A 6 -4.176 3.527 14.199 1.00 0.00 N ATOM 180 C4 U A 6 -2.805 3.698 14.077 1.00 0.00 C ATOM 181 O4 U A 6 -2.077 2.750 13.802 1.00 0.00 O ATOM 182 C5 U A 6 -2.363 5.054 14.299 1.00 0.00 C ATOM 183 C6 U A 6 -3.246 6.027 14.607 1.00 0.00 C ATOM 0 H5' U A 6 -3.473 10.415 15.186 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.589 10.346 16.933 1.00 0.00 H new ATOM 0 H4' U A 6 -5.646 9.606 15.970 1.00 0.00 H new ATOM 0 H3' U A 6 -3.989 7.396 17.298 1.00 0.00 H new ATOM 0 H2' U A 6 -6.000 5.949 16.888 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.226 8.246 17.116 1.00 0.00 H new ATOM 0 H1' U A 6 -6.376 6.752 14.303 1.00 0.00 H new ATOM 0 H3 U A 6 -4.540 2.586 14.050 1.00 0.00 H new ATOM 0 H5 U A 6 -1.313 5.293 14.218 1.00 0.00 H new ATOM 0 H6 U A 6 -2.882 7.030 14.774 1.00 0.00 H new ATOM 194 P C A 7 -5.333 7.526 19.605 1.00 0.00 P ATOM 195 OP1 C A 7 -6.000 8.300 20.676 1.00 0.00 O ATOM 196 OP2 C A 7 -3.929 7.093 19.782 1.00 0.00 O ATOM 197 O5' C A 7 -6.224 6.208 19.307 1.00 0.00 O ATOM 198 C5' C A 7 -7.638 6.248 19.353 1.00 0.00 C ATOM 199 C4' C A 7 -8.202 4.836 19.135 1.00 0.00 C ATOM 200 O4' C A 7 -7.852 4.301 17.852 1.00 0.00 O ATOM 201 C3' C A 7 -7.650 3.849 20.144 1.00 0.00 C ATOM 202 O3' C A 7 -8.293 3.945 21.401 1.00 0.00 O ATOM 203 C2' C A 7 -7.970 2.550 19.448 1.00 0.00 C ATOM 204 O2' C A 7 -9.347 2.263 19.579 1.00 0.00 O ATOM 205 C1' C A 7 -7.687 2.873 17.993 1.00 0.00 C ATOM 206 N1 C A 7 -6.308 2.467 17.616 1.00 0.00 N ATOM 207 C2 C A 7 -6.100 1.136 17.262 1.00 0.00 C ATOM 208 O2 C A 7 -7.023 0.327 17.314 1.00 0.00 O ATOM 209 N3 C A 7 -4.853 0.763 16.857 1.00 0.00 N ATOM 210 C4 C A 7 -3.852 1.654 16.800 1.00 0.00 C ATOM 211 N4 C A 7 -2.647 1.246 16.389 1.00 0.00 N ATOM 212 C5 C A 7 -4.056 3.027 17.159 1.00 0.00 C ATOM 213 C6 C A 7 -5.295 3.378 17.554 1.00 0.00 C ATOM 0 H5' C A 7 -8.018 6.924 18.587 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.970 6.638 20.315 1.00 0.00 H new ATOM 0 H4' C A 7 -9.281 4.952 19.232 1.00 0.00 H new ATOM 0 H3' C A 7 -6.598 3.994 20.388 1.00 0.00 H new ATOM 0 H2' C A 7 -7.409 1.702 19.842 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.748 2.874 20.233 1.00 0.00 H new ATOM 0 H1' C A 7 -8.365 2.329 17.335 1.00 0.00 H new ATOM 0 H41 C A 7 -1.874 1.909 16.339 1.00 0.00 H new ATOM 0 H42 C A 7 -2.501 0.272 16.125 1.00 0.00 H new ATOM 0 H5 C A 7 -3.253 3.747 17.115 1.00 0.00 H new ATOM 0 H6 C A 7 -5.491 4.404 17.828 1.00 0.00 H new ATOM 225 P C A 8 -7.683 3.203 22.699 1.00 0.00 P ATOM 226 OP1 C A 8 -8.613 3.411 23.831 1.00 0.00 O ATOM 227 OP2 C A 8 -6.266 3.606 22.830 1.00 0.00 O ATOM 228 O5' C A 8 -7.719 1.643 22.302 1.00 0.00 O ATOM 229 C5' C A 8 -8.923 0.904 22.341 1.00 0.00 C ATOM 230 C4' C A 8 -8.641 -0.529 21.884 1.00 0.00 C ATOM 231 O4' C A 8 -8.132 -0.565 20.554 1.00 0.00 O ATOM 232 C3' C A 8 -7.570 -1.184 22.726 1.00 0.00 C ATOM 233 O3' C A 8 -8.066 -1.641 23.966 1.00 0.00 O ATOM 234 C2' C A 8 -7.160 -2.327 21.830 1.00 0.00 C ATOM 235 O2' C A 8 -8.060 -3.406 21.979 1.00 0.00 O ATOM 236 C1' C A 8 -7.304 -1.733 20.429 1.00 0.00 C ATOM 237 N1 C A 8 -5.953 -1.370 19.934 1.00 0.00 N ATOM 238 C2 C A 8 -5.187 -2.371 19.345 1.00 0.00 C ATOM 239 O2 C A 8 -5.656 -3.495 19.179 1.00 0.00 O ATOM 240 N3 C A 8 -3.912 -2.069 18.968 1.00 0.00 N ATOM 241 C4 C A 8 -3.408 -0.843 19.166 1.00 0.00 C ATOM 242 N4 C A 8 -2.154 -0.589 18.779 1.00 0.00 N ATOM 243 C5 C A 8 -4.181 0.189 19.788 1.00 0.00 C ATOM 244 C6 C A 8 -5.442 -0.127 20.151 1.00 0.00 C ATOM 0 H5' C A 8 -9.670 1.366 21.695 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.332 0.904 23.351 1.00 0.00 H new ATOM 0 H4' C A 8 -9.596 -1.047 21.969 1.00 0.00 H new ATOM 0 H3' C A 8 -6.756 -0.515 23.007 1.00 0.00 H new ATOM 0 H2' C A 8 -6.162 -2.708 22.046 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.478 -3.364 22.865 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.340 -2.058 24.475 1.00 0.00 H new ATOM 0 H1' C A 8 -7.754 -2.435 19.726 1.00 0.00 H new ATOM 0 H41 C A 8 -1.754 0.338 18.922 1.00 0.00 H new ATOM 0 H42 C A 8 -1.597 -1.323 18.341 1.00 0.00 H new ATOM 0 H5 C A 8 -3.774 1.175 19.959 1.00 0.00 H new ATOM 0 H6 C A 8 -6.059 0.623 20.624 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.713 -8.362 14.992 1.00 0.00 O ATOM 259 C5' G B 9 3.254 -9.690 15.112 1.00 0.00 C ATOM 260 C4' G B 9 1.795 -9.700 15.578 1.00 0.00 C ATOM 261 O4' G B 9 1.654 -9.106 16.869 1.00 0.00 O ATOM 262 C3' G B 9 0.886 -8.897 14.668 1.00 0.00 C ATOM 263 O3' G B 9 0.543 -9.587 13.483 1.00 0.00 O ATOM 264 C2' G B 9 -0.300 -8.714 15.579 1.00 0.00 C ATOM 265 O2' G B 9 -1.032 -9.919 15.673 1.00 0.00 O ATOM 266 C1' G B 9 0.375 -8.449 16.916 1.00 0.00 C ATOM 267 N9 G B 9 0.558 -6.995 17.102 1.00 0.00 N ATOM 268 C8 G B 9 1.685 -6.234 16.927 1.00 0.00 C ATOM 269 N7 G B 9 1.513 -4.966 17.180 1.00 0.00 N ATOM 270 C5 G B 9 0.174 -4.877 17.549 1.00 0.00 C ATOM 271 C6 G B 9 -0.595 -3.742 17.939 1.00 0.00 C ATOM 272 O6 G B 9 -0.233 -2.572 18.034 1.00 0.00 O ATOM 273 N1 G B 9 -1.909 -4.090 18.234 1.00 0.00 N ATOM 274 C2 G B 9 -2.424 -5.367 18.161 1.00 0.00 C ATOM 275 N2 G B 9 -3.716 -5.514 18.471 1.00 0.00 N ATOM 276 N3 G B 9 -1.705 -6.434 17.797 1.00 0.00 N ATOM 277 C4 G B 9 -0.418 -6.116 17.505 1.00 0.00 C ATOM 0 H5' G B 9 3.875 -10.235 15.823 1.00 0.00 H new ATOM 0 H5'' G B 9 3.342 -10.202 14.154 1.00 0.00 H new ATOM 0 H4' G B 9 1.514 -10.753 15.578 1.00 0.00 H new ATOM 0 H3' G B 9 1.329 -7.975 14.291 1.00 0.00 H new ATOM 0 H2' G B 9 -0.991 -7.939 15.249 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.800 -9.790 16.268 1.00 0.00 H new ATOM 0 HO5' G B 9 4.647 -8.364 14.695 1.00 0.00 H new ATOM 0 H1' G B 9 -0.226 -8.822 17.745 1.00 0.00 H new ATOM 0 H8 G B 9 2.630 -6.647 16.608 1.00 0.00 H new ATOM 0 H1 G B 9 -2.540 -3.344 18.527 1.00 0.00 H new ATOM 0 H21 G B 9 -4.148 -6.437 18.433 1.00 0.00 H new ATOM 0 H22 G B 9 -4.270 -4.703 18.745 1.00 0.00 H new ATOM 290 P G B 10 -0.209 -8.823 12.273 1.00 0.00 P ATOM 291 OP1 G B 10 -0.400 -9.789 11.170 1.00 0.00 O ATOM 292 OP2 G B 10 0.513 -7.556 12.020 1.00 0.00 O ATOM 293 O5' G B 10 -1.662 -8.457 12.877 1.00 0.00 O ATOM 294 C5' G B 10 -2.654 -9.451 13.031 1.00 0.00 C ATOM 295 C4' G B 10 -3.960 -8.822 13.535 1.00 0.00 C ATOM 296 O4' G B 10 -3.820 -8.204 14.816 1.00 0.00 O ATOM 297 C3' G B 10 -4.476 -7.734 12.617 1.00 0.00 C ATOM 298 O3' G B 10 -5.109 -8.243 11.461 1.00 0.00 O ATOM 299 C2' G B 10 -5.451 -7.057 13.541 1.00 0.00 C ATOM 300 O2' G B 10 -6.599 -7.862 13.719 1.00 0.00 O ATOM 301 C1' G B 10 -4.663 -7.034 14.834 1.00 0.00 C ATOM 302 N9 G B 10 -3.814 -5.833 14.916 1.00 0.00 N ATOM 303 C8 G B 10 -2.470 -5.732 14.697 1.00 0.00 C ATOM 304 N7 G B 10 -1.983 -4.542 14.913 1.00 0.00 N ATOM 305 C5 G B 10 -3.089 -3.796 15.310 1.00 0.00 C ATOM 306 C6 G B 10 -3.180 -2.427 15.699 1.00 0.00 C ATOM 307 O6 G B 10 -2.282 -1.590 15.763 1.00 0.00 O ATOM 308 N1 G B 10 -4.483 -2.075 16.036 1.00 0.00 N ATOM 309 C2 G B 10 -5.564 -2.931 16.015 1.00 0.00 C ATOM 310 N2 G B 10 -6.745 -2.415 16.372 1.00 0.00 N ATOM 311 N3 G B 10 -5.481 -4.219 15.660 1.00 0.00 N ATOM 312 C4 G B 10 -4.218 -4.582 15.319 1.00 0.00 C ATOM 0 H5' G B 10 -2.312 -10.210 13.734 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.827 -9.953 12.079 1.00 0.00 H new ATOM 0 H4' G B 10 -4.651 -9.664 13.579 1.00 0.00 H new ATOM 0 H3' G B 10 -3.701 -7.089 12.204 1.00 0.00 H new ATOM 0 H2' G B 10 -5.796 -6.085 13.187 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.225 -7.411 14.323 1.00 0.00 H new ATOM 0 H1' G B 10 -5.339 -7.022 15.689 1.00 0.00 H new ATOM 0 H8 G B 10 -1.863 -6.565 14.373 1.00 0.00 H new ATOM 0 H1 G B 10 -4.652 -1.110 16.320 1.00 0.00 H new ATOM 0 H21 G B 10 -7.579 -3.003 16.375 1.00 0.00 H new ATOM 0 H22 G B 10 -6.812 -1.434 16.642 1.00 0.00 H new ATOM 324 P A B 11 -5.418 -7.280 10.200 1.00 0.00 P ATOM 325 OP1 A B 11 -6.177 -8.062 9.199 1.00 0.00 O ATOM 326 OP2 A B 11 -4.151 -6.624 9.810 1.00 0.00 O ATOM 327 O5' A B 11 -6.398 -6.149 10.803 1.00 0.00 O ATOM 328 C5' A B 11 -7.751 -6.433 11.087 1.00 0.00 C ATOM 329 C4' A B 11 -8.445 -5.172 11.611 1.00 0.00 C ATOM 330 O4' A B 11 -7.869 -4.697 12.821 1.00 0.00 O ATOM 331 C3' A B 11 -8.370 -4.023 10.628 1.00 0.00 C ATOM 332 O3' A B 11 -9.325 -4.153 9.594 1.00 0.00 O ATOM 333 C2' A B 11 -8.686 -2.859 11.538 1.00 0.00 C ATOM 334 O2' A B 11 -10.071 -2.836 11.817 1.00 0.00 O ATOM 335 C1' A B 11 -7.960 -3.263 12.826 1.00 0.00 C ATOM 336 N9 A B 11 -6.599 -2.721 12.835 1.00 0.00 N ATOM 337 C8 A B 11 -5.430 -3.378 12.586 1.00 0.00 C ATOM 338 N7 A B 11 -4.366 -2.633 12.699 1.00 0.00 N ATOM 339 C5 A B 11 -4.875 -1.390 13.065 1.00 0.00 C ATOM 340 C6 A B 11 -4.264 -0.159 13.361 1.00 0.00 C ATOM 341 N6 A B 11 -2.942 0.033 13.314 1.00 0.00 N ATOM 342 N1 A B 11 -5.064 0.865 13.717 1.00 0.00 N ATOM 343 C2 A B 11 -6.379 0.672 13.768 1.00 0.00 C ATOM 344 N3 A B 11 -7.070 -0.430 13.511 1.00 0.00 N ATOM 345 C4 A B 11 -6.239 -1.439 13.159 1.00 0.00 C ATOM 0 H5' A B 11 -7.817 -7.230 11.827 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.254 -6.790 10.188 1.00 0.00 H new ATOM 0 H4' A B 11 -9.479 -5.479 11.771 1.00 0.00 H new ATOM 0 H3' A B 11 -7.420 -3.941 10.099 1.00 0.00 H new ATOM 0 H2' A B 11 -8.403 -1.891 11.124 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.536 -3.455 11.216 1.00 0.00 H new ATOM 0 H1' A B 11 -8.498 -2.885 13.695 1.00 0.00 H new ATOM 0 H8 A B 11 -5.389 -4.424 12.319 1.00 0.00 H new ATOM 0 H61 A B 11 -2.551 0.948 13.539 1.00 0.00 H new ATOM 0 H62 A B 11 -2.324 -0.735 13.053 1.00 0.00 H new ATOM 0 H2 A B 11 -6.965 1.531 14.059 1.00 0.00 H new ATOM 357 P G B 12 -9.195 -3.293 8.238 1.00 0.00 P ATOM 358 OP1 G B 12 -10.414 -3.520 7.430 1.00 0.00 O ATOM 359 OP2 G B 12 -7.865 -3.567 7.652 1.00 0.00 O ATOM 360 O5' G B 12 -9.208 -1.767 8.747 1.00 0.00 O ATOM 361 C5' G B 12 -10.399 -1.148 9.189 1.00 0.00 C ATOM 362 C4' G B 12 -10.104 0.291 9.544 1.00 0.00 C ATOM 363 O4' G B 12 -9.216 0.371 10.644 1.00 0.00 O ATOM 364 C3' G B 12 -9.404 1.008 8.436 1.00 0.00 C ATOM 365 O3' G B 12 -10.279 1.333 7.371 1.00 0.00 O ATOM 366 C2' G B 12 -8.972 2.223 9.207 1.00 0.00 C ATOM 367 O2' G B 12 -10.090 3.048 9.466 1.00 0.00 O ATOM 368 C1' G B 12 -8.520 1.605 10.520 1.00 0.00 C ATOM 369 N9 G B 12 -7.063 1.379 10.527 1.00 0.00 N ATOM 370 C8 G B 12 -6.368 0.211 10.347 1.00 0.00 C ATOM 371 N7 G B 12 -5.073 0.343 10.459 1.00 0.00 N ATOM 372 C5 G B 12 -4.897 1.699 10.731 1.00 0.00 C ATOM 373 C6 G B 12 -3.700 2.449 10.958 1.00 0.00 C ATOM 374 O6 G B 12 -2.533 2.058 10.973 1.00 0.00 O ATOM 375 N1 G B 12 -3.978 3.789 11.177 1.00 0.00 N ATOM 376 C2 G B 12 -5.234 4.350 11.197 1.00 0.00 C ATOM 377 N2 G B 12 -5.298 5.665 11.433 1.00 0.00 N ATOM 378 N3 G B 12 -6.356 3.654 10.999 1.00 0.00 N ATOM 379 C4 G B 12 -6.113 2.339 10.769 1.00 0.00 C ATOM 0 H5' G B 12 -10.798 -1.675 10.056 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.159 -1.195 8.409 1.00 0.00 H new ATOM 0 H4' G B 12 -11.074 0.739 9.759 1.00 0.00 H new ATOM 0 H3' G B 12 -8.610 0.453 7.936 1.00 0.00 H new ATOM 0 H2' G B 12 -8.224 2.828 8.695 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.828 2.794 8.873 1.00 0.00 H new ATOM 0 H1' G B 12 -8.738 2.270 11.356 1.00 0.00 H new ATOM 0 H8 G B 12 -6.847 -0.733 10.132 1.00 0.00 H new ATOM 0 H1 G B 12 -3.185 4.411 11.337 1.00 0.00 H new ATOM 0 H21 G B 12 -6.203 6.135 11.459 1.00 0.00 H new ATOM 0 H22 G B 12 -4.442 6.198 11.587 1.00 0.00 H new ATOM 391 P U B 13 -9.706 1.782 5.933 1.00 0.00 P ATOM 392 OP1 U B 13 -10.840 2.263 5.113 1.00 0.00 O ATOM 393 OP2 U B 13 -8.844 0.692 5.427 1.00 0.00 O ATOM 394 O5' U B 13 -8.764 3.039 6.274 1.00 0.00 O ATOM 395 C5' U B 13 -9.305 4.297 6.619 1.00 0.00 C ATOM 396 C4' U B 13 -8.153 5.260 6.916 1.00 0.00 C ATOM 397 O4' U B 13 -7.348 4.804 8.000 1.00 0.00 O ATOM 398 C3' U B 13 -7.222 5.375 5.723 1.00 0.00 C ATOM 399 O3' U B 13 -7.684 6.315 4.762 1.00 0.00 O ATOM 400 C2' U B 13 -5.948 5.815 6.366 1.00 0.00 C ATOM 401 O2' U B 13 -5.969 7.213 6.568 1.00 0.00 O ATOM 402 C1' U B 13 -5.979 5.119 7.712 1.00 0.00 C ATOM 403 N1 U B 13 -5.161 3.885 7.707 1.00 0.00 N ATOM 404 C2 U B 13 -3.806 4.015 7.975 1.00 0.00 C ATOM 405 O2 U B 13 -3.286 5.109 8.177 1.00 0.00 O ATOM 406 N3 U B 13 -3.068 2.840 8.004 1.00 0.00 N ATOM 407 C4 U B 13 -3.579 1.560 7.827 1.00 0.00 C ATOM 408 O4 U B 13 -2.839 0.581 7.864 1.00 0.00 O ATOM 409 C5 U B 13 -5.014 1.524 7.617 1.00 0.00 C ATOM 410 C6 U B 13 -5.736 2.656 7.561 1.00 0.00 C ATOM 0 H5' U B 13 -9.954 4.204 7.490 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.919 4.681 5.804 1.00 0.00 H new ATOM 0 H4' U B 13 -8.619 6.216 7.156 1.00 0.00 H new ATOM 0 H3' U B 13 -7.132 4.449 5.154 1.00 0.00 H new ATOM 0 H2' U B 13 -5.066 5.581 5.770 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.775 7.591 6.158 1.00 0.00 H new ATOM 0 H1' U B 13 -5.558 5.774 8.474 1.00 0.00 H new ATOM 0 H3 U B 13 -2.065 2.923 8.169 1.00 0.00 H new ATOM 0 H5 U B 13 -5.510 0.572 7.504 1.00 0.00 H new ATOM 0 H6 U B 13 -6.801 2.591 7.396 1.00 0.00 H new ATOM 421 P U B 14 -6.956 6.466 3.321 1.00 0.00 P ATOM 422 OP1 U B 14 -7.816 7.310 2.462 1.00 0.00 O ATOM 423 OP2 U B 14 -6.575 5.111 2.866 1.00 0.00 O ATOM 424 O5' U B 14 -5.592 7.292 3.622 1.00 0.00 O ATOM 425 C5' U B 14 -5.596 8.707 3.748 1.00 0.00 C ATOM 426 C4' U B 14 -4.150 9.228 3.866 1.00 0.00 C ATOM 427 O4' U B 14 -3.527 8.791 5.068 1.00 0.00 O ATOM 428 C3' U B 14 -3.261 8.729 2.738 1.00 0.00 C ATOM 429 O3' U B 14 -3.412 9.468 1.542 1.00 0.00 O ATOM 430 C2' U B 14 -1.908 8.959 3.348 1.00 0.00 C ATOM 431 O2' U B 14 -1.584 10.333 3.303 1.00 0.00 O ATOM 432 C1' U B 14 -2.137 8.565 4.789 1.00 0.00 C ATOM 433 N1 U B 14 -1.816 7.139 5.000 1.00 0.00 N ATOM 434 C2 U B 14 -0.495 6.785 5.225 1.00 0.00 C ATOM 435 O2 U B 14 0.422 7.602 5.179 1.00 0.00 O ATOM 436 N3 U B 14 -0.266 5.449 5.513 1.00 0.00 N ATOM 437 C4 U B 14 -1.231 4.458 5.606 1.00 0.00 C ATOM 438 O4 U B 14 -0.919 3.301 5.872 1.00 0.00 O ATOM 439 C5 U B 14 -2.576 4.927 5.366 1.00 0.00 C ATOM 440 C6 U B 14 -2.813 6.222 5.072 1.00 0.00 C ATOM 0 H5' U B 14 -6.170 9.001 4.627 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.084 9.156 2.883 1.00 0.00 H new ATOM 0 H4' U B 14 -4.244 10.314 3.836 1.00 0.00 H new ATOM 0 H3' U B 14 -3.474 7.705 2.430 1.00 0.00 H new ATOM 0 H2' U B 14 -1.107 8.415 2.847 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.214 10.799 2.714 1.00 0.00 H new ATOM 0 H1' U B 14 -1.496 9.151 5.448 1.00 0.00 H new ATOM 0 H3 U B 14 0.702 5.169 5.671 1.00 0.00 H new ATOM 0 H5 U B 14 -3.401 4.233 5.423 1.00 0.00 H new ATOM 0 H6 U B 14 -3.829 6.539 4.888 1.00 0.00 H new ATOM 451 P C B 15 -2.789 8.923 0.153 1.00 0.00 P ATOM 452 OP1 C B 15 -3.002 9.958 -0.883 1.00 0.00 O ATOM 453 OP2 C B 15 -3.304 7.553 -0.065 1.00 0.00 O ATOM 454 O5' C B 15 -1.198 8.815 0.436 1.00 0.00 O ATOM 455 C5' C B 15 -0.366 9.959 0.411 1.00 0.00 C ATOM 456 C4' C B 15 1.099 9.539 0.610 1.00 0.00 C ATOM 457 O4' C B 15 1.319 8.913 1.880 1.00 0.00 O ATOM 458 C3' C B 15 1.538 8.517 -0.419 1.00 0.00 C ATOM 459 O3' C B 15 1.839 9.104 -1.671 1.00 0.00 O ATOM 460 C2' C B 15 2.771 7.973 0.257 1.00 0.00 C ATOM 461 O2' C B 15 3.833 8.896 0.128 1.00 0.00 O ATOM 462 C1' C B 15 2.358 7.924 1.716 1.00 0.00 C ATOM 463 N1 C B 15 1.856 6.574 2.084 1.00 0.00 N ATOM 464 C2 C B 15 2.797 5.606 2.426 1.00 0.00 C ATOM 465 O2 C B 15 3.998 5.859 2.371 1.00 0.00 O ATOM 466 N3 C B 15 2.348 4.382 2.823 1.00 0.00 N ATOM 467 C4 C B 15 1.035 4.116 2.884 1.00 0.00 C ATOM 468 N4 C B 15 0.640 2.904 3.287 1.00 0.00 N ATOM 469 C5 C B 15 0.058 5.107 2.539 1.00 0.00 C ATOM 470 C6 C B 15 0.519 6.312 2.150 1.00 0.00 C ATOM 0 H5' C B 15 -0.665 10.655 1.195 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.479 10.482 -0.539 1.00 0.00 H new ATOM 0 H4' C B 15 1.664 10.467 0.524 1.00 0.00 H new ATOM 0 H3' C B 15 0.781 7.773 -0.667 1.00 0.00 H new ATOM 0 H2' C B 15 3.100 7.018 -0.153 1.00 0.00 H new ATOM 0 HO2' C B 15 3.572 9.611 -0.489 1.00 0.00 H new ATOM 0 H1' C B 15 3.208 8.131 2.366 1.00 0.00 H new ATOM 0 H41 C B 15 -0.354 2.683 3.340 1.00 0.00 H new ATOM 0 H42 C B 15 1.333 2.200 3.542 1.00 0.00 H new ATOM 0 H5 C B 15 -1.000 4.897 2.589 1.00 0.00 H new ATOM 0 H6 C B 15 -0.185 7.087 1.885 1.00 0.00 H new ATOM 482 P C B 16 2.055 8.186 -2.982 1.00 0.00 P ATOM 483 OP1 C B 16 2.436 9.069 -4.107 1.00 0.00 O ATOM 484 OP2 C B 16 0.881 7.297 -3.113 1.00 0.00 O ATOM 485 O5' C B 16 3.329 7.274 -2.608 1.00 0.00 O ATOM 486 C5' C B 16 4.642 7.794 -2.655 1.00 0.00 C ATOM 487 C4' C B 16 5.624 6.707 -2.210 1.00 0.00 C ATOM 488 O4' C B 16 5.350 6.265 -0.884 1.00 0.00 O ATOM 489 C3' C B 16 5.509 5.465 -3.064 1.00 0.00 C ATOM 490 O3' C B 16 6.180 5.600 -4.299 1.00 0.00 O ATOM 491 C2' C B 16 6.182 4.448 -2.180 1.00 0.00 C ATOM 492 O2' C B 16 7.582 4.532 -2.341 1.00 0.00 O ATOM 493 C1' C B 16 5.801 4.906 -0.772 1.00 0.00 C ATOM 494 N1 C B 16 4.711 4.030 -0.274 1.00 0.00 N ATOM 495 C2 C B 16 5.067 2.820 0.311 1.00 0.00 C ATOM 496 O2 C B 16 6.251 2.530 0.469 1.00 0.00 O ATOM 497 N3 C B 16 4.070 1.971 0.693 1.00 0.00 N ATOM 498 C4 C B 16 2.782 2.291 0.503 1.00 0.00 C ATOM 499 N4 C B 16 1.837 1.432 0.895 1.00 0.00 N ATOM 500 C5 C B 16 2.406 3.527 -0.114 1.00 0.00 C ATOM 501 C6 C B 16 3.405 4.356 -0.481 1.00 0.00 C ATOM 0 H5' C B 16 4.725 8.666 -2.006 1.00 0.00 H new ATOM 0 H5'' C B 16 4.880 8.126 -3.666 1.00 0.00 H new ATOM 0 H4' C B 16 6.610 7.164 -2.292 1.00 0.00 H new ATOM 0 H3' C B 16 4.486 5.217 -3.348 1.00 0.00 H new ATOM 0 H2' C B 16 5.888 3.421 -2.398 1.00 0.00 H new ATOM 0 HO2' C B 16 7.788 4.916 -3.219 1.00 0.00 H new ATOM 0 HO3' C B 16 6.081 4.774 -4.817 1.00 0.00 H new ATOM 0 H1' C B 16 6.638 4.847 -0.077 1.00 0.00 H new ATOM 0 H41 C B 16 0.852 1.660 0.758 1.00 0.00 H new ATOM 0 H42 C B 16 2.100 0.548 1.331 1.00 0.00 H new ATOM 0 H5 C B 16 1.370 3.784 -0.278 1.00 0.00 H new ATOM 0 H6 C B 16 3.164 5.299 -0.949 1.00 0.00 H new TER 514 C B 16